4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H25N3O5S2/c22-28(23,15-3-4-16-17(12-15)26-11-10-25-16)21-7-5-20(6-8-21)18(27)19-13-14-2-1-9-24-14/h3-4,12,14H,1-2,5-11,13H2,(H,19,27)